3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H25N3O3S2/c23-15-19-18-10-3-4-11-20(18)29-22(19)24-21(26)16-8-7-9-17(14-16)30(27,28)25-12-5-1-2-6-13-25/h7-9,14H,1-6,10-13H2,(H,24,26)